2-cyclohexa-1,5-dien-1-yl-7-methyl-1,2,3,4,4a,8a-hexahydroquinolin-4-ol;propane

C19H29NO — CID 143382087

IUPAC2-cyclohexa-1,5-dien-1-yl-7-methyl-1,2,3,4,4a,8a-hexahydroquinolin-4-ol;propane
SMILESCC1=CC2NC(C3=CCCC=C3)CC(O)C2C=C1.CCC
InChIInChI=1S/C16H21NO.C3H8/c1-11-7-8-13-15(9-11)17-14(10-16(13)18)12-5-3-2-4-6-12;1-3-2/h3,5-9,13-18H,2,4,10H2,1H3;3H2,1-2H3
InChIKeyPJBKKIJSJSZJPE-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.90
Rot. Bonds1

About 2-cyclohexa-1,5-dien-1-yl-7-methyl-1,2,3,4,4a,8a-hexahydroquinolin-4-ol;propane

2-cyclohexa-1,5-dien-1-yl-7-methyl-1,2,3,4,4a,8a-hexahydroquinolin-4-ol;propane (PubChem CID 143382087) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-7-methyl-1,2,3,4,4a,8a-hexahydroquinolin-4-ol;propane.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yl-7-methyl-1,2,3,4,4a,8a-hexahydroquinolin-4-ol;propane
PubChem CID143382087
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name2-cyclohexa-1,5-dien-1-yl-7-methyl-1,2,3,4,4a,8a-hexahydroquinolin-4-ol;propane
SMILESCC1=CC2NC(C3=CCCC=C3)CC(O)C2C=C1.CCC
InChIInChI=1S/C16H21NO.C3H8/c1-11-7-8-13-15(9-11)17-14(10-16(13)18)12-5-3-2-4-6-12;1-3-2/h3,5-9,13-18H,2,4,10H2,1H3;3H2,1-2H3
InChIKeyPJBKKIJSJSZJPE-UHFFFAOYSA-N
XLogP3.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yl-7-methyl-1,2,3,4,4a,8a-hexahydroquinolin-4-ol;propane?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-7-methyl-1,2,3,4,4a,8a-hexahydroquinolin-4-ol;propane (CID 143382087) is 2-cyclohexa-1,5-dien-1-yl-7-methyl-1,2,3,4,4a,8a-hexahydroquinolin-4-ol;propane.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-7-methyl-1,2,3,4,4a,8a-hexahydroquinolin-4-ol;propane?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-7-methyl-1,2,3,4,4a,8a-hexahydroquinolin-4-ol;propane is CC1=CC2NC(C3=CCCC=C3)CC(O)C2C=C1.CCC.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-7-methyl-1,2,3,4,4a,8a-hexahydroquinolin-4-ol;propane?
The InChIKey is PJBKKIJSJSZJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO.C3H8/c1-11-7-8-13-15(9-11)17-14(10-16(13)18)12-5-3-2-4-6-12;1-3-2/h3,5-9,13-18H,2,4,10H2,1H3;3H2,1-2H3.
What are the key properties of 2-cyclohexa-1,5-dien-1-yl-7-methyl-1,2,3,4,4a,8a-hexahydroquinolin-4-ol;propane?
2-cyclohexa-1,5-dien-1-yl-7-methyl-1,2,3,4,4a,8a-hexahydroquinolin-4-ol;propane has a molecular weight of 287.45 g/mol, XLogP of 3.90, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-yl-7-methyl-1,2,3,4,4a,8a-hexahydroquinolin-4-ol;propane is sourced from PubChem (CID 143382087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).